Planned maintenance on Wednesday, 2021-01-20, 17:00-18:00. Expect some interruptions during that time

Commit e69cc553 authored by Carl Poelking's avatar Carl Poelking

Topology continued, configuration parser.

parent 2cb71c30
......@@ -45,8 +45,28 @@ def parse(output_file_name):
o = open_section
p.startedParsingSession(output_file_name, parser_info)
# PARSE CONTROLS
ctrl_file_name = 'CONTROL'
terminal_ctrls = DlPolyControls(osio)
terminal_ctrls.ParseControls(ctrl_file_name)
# PARSE OUTPUT / TOPOLOGY
output_file_name = 'OUTPUT'
terminal = DlPolyParser(osio)
terminal.ParseOutput(output_file_name)
# PARSE TRAJECTORY
cfg_file_name = 'CONFIG'
terminal_trj = DlPolyConfig(osio)
terminal_trj.ParseConfig(cfg_file_name)
# SUMMARIZE KEY-TABLE DEFAULTS
terminal.SummarizeKeyDefaults()
terminal.topology.SummarizeKeyDefaults()
terminal_ctrls.SummarizeKeyDefaults()
terminal_trj.SummarizeKeyDefaults()
osio.okquit()
with o(p, 'section_run'):
p.addValue('program_name', 'DL_POLY')
......@@ -81,6 +101,7 @@ if __name__ == '__main__':
log("Parsing ...", green)
output_file_name = sys.argv[1]
parse(output_file_name)
parse(output_file_name)
log("... Done.", green)
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